SCHEMBL7994423

SCHEMBL7994423

CC[C](C)/C1=C/CCCCCC1

nearest known ligand 0.42

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
HDAC4 P56524 2/20 0.42
HDAC2 Q92769 2/20 0.42
HDAC8 Q9BY41 2/20 0.42
HDAC6 Q9UBN7 2/20 0.42
CTSK P43235 1/20 0.42
HDAC3 O15379 1/20 0.35
HDAC1 Q13547 1/20 0.35
HDAC7 Q8WUI4 1/20 0.35
HDAC5 Q9UQL6 1/20 0.35
ALDH1A1 P00352 1/20 0.33
RAB9A P51151 1/20 0.33
CXCR3 P49682 1/20 0.31
CHRNB2 P17787 1/20 0.31
CHRNA4 P43681 1/20 0.31

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL7992329 0.98 HDAC4 (0.44) HDAC4HDAC2HDAC8HDAC6CTSK
SCHEMBL7980440 0.91
SCHEMBL2688981 0.75 HDAC4 (0.42) HDAC4HDAC2HDAC8HDAC6CTSK
SCHEMBL3936517 0.75 HDAC2 (0.52) HDAC4HDAC2HDAC8HDAC6CTSK
SCHEMBL14988865 0.75 HDAC2 (0.50) HDAC4HDAC2HDAC8HDAC6CTSK
SCHEMBL3133166 0.75
SCHEMBL11041765 0.74 HDAC2 (0.55) HDAC4HDAC2HDAC8HDAC6CTSK
SCHEMBL1229915 0.74 HDAC2 (0.55) HDAC4HDAC2HDAC8HDAC6CTSK
SCHEMBL11036333 0.74 HDAC2 (0.55) HDAC4HDAC2HDAC8HDAC6CTSK
SCHEMBL621702 0.74 HDAC2 (0.55) HDAC4HDAC2HDAC8HDAC6CTSK

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6277790-B1 APPLYING PLANTS, SEEDS, SOILS OR ENVIRONMENT BASF AKTIENGESELLSCHAFT (DE) 2001-08-21 US disclosed